Chemical Properties of 2-Chloropropionic acid, 3,5-difluophenyl ester

InChI

InChI=1S/C9H7ClF2O2/c1-5(10)9(13)14-8-3-6(11)2-7(12)4-8/h2-5H,1H3

InChI Key

IKRUDTQLJRNXAM-UHFFFAOYSA-N

Formula

C9H7ClF2O2

SMILES

CC(Cl)C(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

220.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.53	kJ/mol	Joback Calculated Property
logPoct/wat	2.497		Crippen Calculated Property
McVol	137.130	ml/mol	McGowan Calculated Property
Inp	[1234.00; 1234.00]
Inp	1234.00		NIST
Inp	1234.00		NIST
Tboil	480.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.08; 390.10]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.82000e+01
Coefficient B			6.42420e-01
Coefficient C			-3.24720e-04
Coefficient D			3.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.08	J/mol×K	273.00	Calculated Property
Cp,gas	226.35	J/mol×K	353.78	Calculated Property
Cp,gas	258.85	J/mol×K	434.56	Calculated Property
Cp,gas	287.71	J/mol×K	515.33	Calculated Property
Cp,gas	313.01	J/mol×K	596.11	Calculated Property
Cp,gas	334.87	J/mol×K	676.89	Calculated Property
Cp,gas	353.41	J/mol×K	757.67	Calculated Property
Cp,gas	368.72	J/mol×K	838.44	Calculated Property
Cp,gas	380.91	J/mol×K	919.22	Calculated Property
Cp,gas	390.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloropropionic acid, 3,5-difluophenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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